BDBM50207561 CHEMBL396097::Class IIa HDAC inhibitor, Compound 6::N-hydroxy-2,2-diphenylacetamide
SMILES: ONC(=O)C(c1ccccc1)c1ccccc1
InChI Key: InChIKey=OFSBBVCLWMCGNY-UHFFFAOYSA-N
Data: 19 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase 7 (HDAC7) (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 354 | n/a | n/a | n/a | n/a | 8.0 | n/a |
University of Queensland | Assay Description Fluorescence readings were carried out on a CytofluorR Series 4000 fluorescence multiwell plate reader (Perspective Biosystems). Stock solutions of t... | J Biol Chem 288: 25362-74 (2013) Article DOI: 10.1074/jbc.M113.496281 BindingDB Entry DOI: 10.7270/Q2JS9P97 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 9 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substr... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 8.0 | n/a |
University of Queensland | Assay Description Fluorescence readings were carried out on a CytofluorR Series 4000 fluorescence multiwell plate reader (Perspective Biosystems). Stock solutions of t... | J Biol Chem 288: 25362-74 (2013) Article DOI: 10.1074/jbc.M113.496281 BindingDB Entry DOI: 10.7270/Q2JS9P97 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal FLAG-tagged HDAC5 (620-1122) expressed in baculovirus after 10 mins by fluorimetric analysis | Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ithaca College Curated by ChEMBL | Assay Description Inhibition of human HDAC8 by [3H]acetyl histone peptide assay | Bioorg Med Chem Lett 17: 2874-8 (2007) Article DOI: 10.1016/j.bmcl.2007.02.064 BindingDB Entry DOI: 10.7270/Q2513XWG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 7 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal FLAG-tagged HDAC7 (438-915) expressed in baculovirus after 10 mins by fluorimetric analysis | Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus after 10 mins by fluorimetric analysis | Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal FLAG-tagged HDAC4 (612-1034) expressed in baculovirus after 10 mins by fluorimetric analysis | Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant C-terminal FLAG-tagged HDAC2 expressed in baculovirus after 10 mins by fluorimetric analysis | Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant N-terminal FLAG-tagged HDAC6 (438-915) expressed in baculovirus after 10 mins by fluorimetric analysis | Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant HDAC8 expressed in baculovirus after 10 mins by fluorimetric analysis | Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BioFocus Curated by ChEMBL | Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay | J Med Chem 56: 9934-54 (2013) Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of recombinant human HDAC6 expressed in HEK293 cells using Lys-Ac-AMC as substrate measured after 60 mins by fluorescence assay | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measure... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 7 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substra... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of human C-terminal His-tagged HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using Boc-... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles River Discovery (previously BioFocus) Curated by ChEMBL | Assay Description Inhibition of HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence as... | Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50207561 (CHEMBL396097 | Class IIa HDAC inhibitor, Compound ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | 8.0 | n/a |
University of Queensland | Assay Description Fluorescence readings were carried out on a CytofluorR Series 4000 fluorescence multiwell plate reader (Perspective Biosystems). Stock solutions of t... | J Biol Chem 288: 25362-74 (2013) Article DOI: 10.1074/jbc.M113.496281 BindingDB Entry DOI: 10.7270/Q2JS9P97 | |||||||||||
More data for this Ligand-Target Pair |